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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-13974
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Li', 'Ti', 'Se']
  • Chemical System: Li-Se-Ti
  • Density: 5.019078755542539
  • Atomic Density: 0.04841502792214044
  • Unit Cell Volume: 206.5474384540621
  • Molar Volume: 12.438577479877985
  • Full Formula: Li1 Ti3 Se6
  • Reduced Formula: Li(TiSe2)3
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1